Excited state properties of C6H6 and C6D6 studied by Feynman path integral-ab initio simulations

Journal of Physical Chemistry A

Volumn 106, Issue 13, 2002, Pages 3169-3180

  Böhm, Michael C ^a   Schulte, Joachim ^b   Ramírez, Rafael ^c  

^a DARMSTADT UNIVERSITY OF TECHNOLOGY   (Germany)

^b Bruker Analytik GmbH   (Germany)

^c INSTITUTO DE CIENCIA DE MATERIALES DE MADRID   (Spain)

Author keywords

[No Author keywords available]

Indexed keywords

THERMAL EQUILIBRIUM;

BENZENE; COMPUTER SIMULATION; ELECTRON TRANSITIONS; ELECTRONIC STRUCTURE; GROUND STATE; HAMILTONIANS; MONTE CARLO METHODS; POTENTIAL ENERGY;

ISOMERS;

EID: 0037018522     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp013483h     Document Type: Article

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